6DWQ
Subtilisin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 67.926, 67.926, 123.481 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.589 - 1.270 |
| R-factor | 0.1234 |
| Rwork | 0.122 |
| R-free | 0.14800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c3v |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.263 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rmerge | 0.050 | 0.271 |
| Number of reflections | 87671 | 4340 |
| <I/σ(I)> | 38.6 | 3.1 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 9.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 26% PEG 3350, 0.350 M NH4NO3 |
